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2-(3-methoxyphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

2-(3-methoxyphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

Formula: C23H27NO6

SMILES: COC1=CC=CC(=C1)C(=O)COC(=O)C(C(C)C)N1C(=O)C2C3CCC(C3)C2C1=O

IUPAC: 2-(3-methoxyphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

InChI: InChI=1/C23H27NO6/c1-12(2)20(23(28)30-11-17(25)13-5-4-6-16(10-13)29-3)24-21(26)18-14-7-8-15(9-14)19(18)22(24)27/h4-6,10,12,14-15,18-20H,7-9,11H2,1-3H3

Composition: C (66.81%), H (6.58%), N (3.39%), O (23.22%)

Molar Mass: 413.47

Atom Count: 57

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 413.183837593
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey FHKZGJRODFJZBQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.13
Topological Polar Surface Area 89.98
Polarizability 42.28
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H27NO6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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